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Information card for entry 1508278
Preview
| Coordinates | 1508278.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H18 F I O2 |
|---|---|
| Calculated formula | C24 H18 F I O2 |
| SMILES | Fc1cc2c(cc(I)c3c4c(C(O)(c23)c2ccccc2)cccc4)cc1.OC |
| Title of publication | Novel silver tetrafluoroborate catalyzed electrophilic cascade cyclization reaction: a facile approach to the synthesis of halo-substituted benzo[a]fluorenols. |
| Authors of publication | Chen, Zhiyuan; Zeng, Mengjing; Yuan, Jianjun; Yang, Qin; Peng, Yiyuan |
| Journal of publication | Organic letters |
| Year of publication | 2012 |
| Journal volume | 14 |
| Journal issue | 14 |
| Pages of publication | 3588 - 3591 |
| a | 9.566 ± 0.008 Å |
| b | 9.734 ± 0.009 Å |
| c | 11.985 ± 0.008 Å |
| α | 105.07 ± 0.05° |
| β | 98.08 ± 0.05° |
| γ | 102.89 ± 0.05° |
| Cell volume | 1026.8 ± 1.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0983 |
| Residual factor for significantly intense reflections | 0.0809 |
| Weighted residual factors for significantly intense reflections | 0.2173 |
| Weighted residual factors for all reflections included in the refinement | 0.2344 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1508278.cif |
| 113533 | 2014-05-13 | cif/ Updating files of 1508277, 1508278 Original log message: Adding full bibliography for 1508277--1508278.cif. |
1508278.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1508278.cif |
| 66266 | 2012-09-09 | cif/ Adding structures of 1508278 via cif-deposit CGI script. |
1508278.cif |
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Users of the data should acknowledge the original authors of the
structural data.